SCHEMBL9045552

SCHEMBL9045552

C=Cc1c(C)c(OC(C)=O)c(C)c(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.35
CELA1 Q9UNI1 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
IMPDH2 P12268 2/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22991579 0.85 HSD17B10 (0.34) PREPCELA1KDM4EHSD17B10TP53
SCHEMBL9507056 0.76 LMNA (0.44) PREPCELA1KDM4EHSD17B10TP53
SCHEMBL8603161 0.75 KDM4E (0.42) PREPCELA1KDM4EIMPDH2
SCHEMBL13134484 0.73 LMNA (0.42) PREPCELA1KDM4EHSD17B10TP53
SCHEMBL9507051 0.72 KDM4E (0.36) PREPCELA1KDM4EHSD17B10TP53
SCHEMBL4459372 0.72 CYP3A4 (0.42) PREPCELA1KDM4EHSD17B10TP53
SCHEMBL9044529 0.71 PDXK (0.35)
SCHEMBL17408806 0.71 PDXK (0.35)
SCHEMBL5865884 0.71 LMNA (0.44) PREPCELA1KDM4EHSD17B10TP53
SCHEMBL8821099 0.70 PREP (0.42) PREPCELA1KDM4EHSD17B10TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538803-B1 Process for the preparation of substituted vinyl benzenes LONZA AG (CH) 1996-06-05 EP claimed
US-5344963-A Process for the production of substituted vinylbenzenes LONZA LTD. (CH) 1994-09-06 US claimed
US-5344963-A Process for the production of substituted vinylbenzenes LONZA LTD. (CH) 1994-09-06 US disclosed
US-5292748-A Process for the production of substituted vinylbenzenes LONZA, LTD. (CH) 1994-03-08 US disclosed
US-5274176-A Producing a 4-acetyltrialkylphenol form a trialkyl hydroquinone LONZA LTD. (CH) 1993-12-28 US disclosed